1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole

C20H18N4 — CID 5239032

IUPAC1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole
SMILESc1cn(Cc2ccc(-c3ccc(Cn4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1-12,15-16H,13-14H2
InChIKeyDRJQEQQHTVMVJN-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.84
Rot. Bonds5

About 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole

1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole (PubChem CID 5239032) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole
PubChem CID5239032
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole
SMILESc1cn(Cc2ccc(-c3ccc(Cn4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1-12,15-16H,13-14H2
InChIKeyDRJQEQQHTVMVJN-UHFFFAOYSA-N
XLogP3.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole?
The IUPAC name of 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole (CID 5239032) is 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole is c1cn(Cc2ccc(-c3ccc(Cn4ccnc4)cc3)cc2)cn1.
What is the InChIKey of 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole?
The InChIKey is DRJQEQQHTVMVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1-12,15-16H,13-14H2.
What are the key properties of 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole?
1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole has a molecular weight of 314.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]imidazole is sourced from PubChem (CID 5239032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).